methyl (2E)-2-cyclohexyl-2-hydroxyiminoacetate

C9H15NO3 — CID 13611517

IUPACmethyl (2E)-2-cyclohexyl-2-hydroxyiminoacetate
SMILESCOC(=O)/C(=N/O)/C1CCCCC1
InChIInChI=1S/C9H15NO3/c1-13-9(11)8(10-12)7-5-3-2-4-6-7/h7,12H,2-6H2,1H3/b10-8+
InChIKeyKMTGXMAPGNUCPK-CSKARUKUSA-N
MW185.22 g/mol
LogP2.90
Rot. Bonds3

About methyl (2E)-2-cyclohexyl-2-hydroxyiminoacetate

methyl (2E)-2-cyclohexyl-2-hydroxyiminoacetate (PubChem CID 13611517) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is methyl (2E)-2-cyclohexyl-2-hydroxyiminoacetate.

Molecular Properties

Compound Namemethyl (2E)-2-cyclohexyl-2-hydroxyiminoacetate
PubChem CID13611517
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Namemethyl (2E)-2-cyclohexyl-2-hydroxyiminoacetate
SMILESCOC(=O)/C(=N/O)/C1CCCCC1
InChIInChI=1S/C9H15NO3/c1-13-9(11)8(10-12)7-5-3-2-4-6-7/h7,12H,2-6H2,1H3/b10-8+
InChIKeyKMTGXMAPGNUCPK-CSKARUKUSA-N
XLogP2.90
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity207

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (2E)-2-cyclohexyl-2-hydroxyiminoacetate?
The IUPAC name of methyl (2E)-2-cyclohexyl-2-hydroxyiminoacetate (CID 13611517) is methyl (2E)-2-cyclohexyl-2-hydroxyiminoacetate.
What is the SMILES notation for methyl (2E)-2-cyclohexyl-2-hydroxyiminoacetate?
The canonical SMILES for methyl (2E)-2-cyclohexyl-2-hydroxyiminoacetate is COC(=O)/C(=N/O)/C1CCCCC1.
What is the InChIKey of methyl (2E)-2-cyclohexyl-2-hydroxyiminoacetate?
The InChIKey is KMTGXMAPGNUCPK-CSKARUKUSA-N. The full InChI is InChI=1S/C9H15NO3/c1-13-9(11)8(10-12)7-5-3-2-4-6-7/h7,12H,2-6H2,1H3/b10-8+.
What are the key properties of methyl (2E)-2-cyclohexyl-2-hydroxyiminoacetate?
methyl (2E)-2-cyclohexyl-2-hydroxyiminoacetate has a molecular weight of 185.22 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E)-2-cyclohexyl-2-hydroxyiminoacetate is sourced from PubChem (CID 13611517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).